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CS-W001157 4
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4'-Nitrobiphenyl-3-carboxylic acid

  • CAS No. 729-01-1

  • Cat. No. CS-0208561
  • Purity≥96%
  • MDL No.MFCD11895693

*For research and further manufacturing use only, not for direct human use.

4'-Nitrobiphenyl-3-carboxylic acid|CS-0208561

Structure of 729-01-1

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General Information

  • CAS No. 729-01-1
  • Cat. No. CS-0208561
  • Purity ≥96%
  • MDL No. MFCD11895693
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₉NO₄
  • Molecular Weight 243.21
  • Synonym(s) 4'-Nitro-[1,1'-biphenyl]-3-carboxylic acid
  • SMILES C1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • SPIROGEN LIMITED Patent: WO2005/85177 A2, 2005 ; Location in patent: Page/Page column 48 ;
  • Route2
    • 1-Methyl-3-(4-nitrophenyl)benzene|CS-0210946
      952-21-6
    • ~86%
    • 4'-Nitrobiphenyl-3-carboxylic acid|CS-0208561
      729-01-1

    References

    • Qian, Yimin; Vogt, Andreas; Sebti, Said M.; Hamilton, Andrew D. Journal of Medicinal Chemistry, 1996 , vol. 39, # 1 p. 217 - 223
  • Route3

    References

    • Dannley; Sternfeld Journal of the American Chemical Society, 1954 , vol. 76, p. 4543,4544

Safety Information

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   2.96
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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